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1,3-Benzodioxole-5-ethanamine

1,3-Benzodioxole-5-ethanamine structure

CAS No:
1484-85-1
Formula:
C9H11NO2
Chemical Name:
1,3-Benzodioxole-5-ethanamine
Synonyms:
1,3-Benzodioxole-5-ethanamine;Phenethylamine,3,4-(methylenedioxy)-;Homopiperonylamine;3,4-(Methylenedioxy)phenethylamine;3,4-(Methylenedioxy)-β-phenethylamine;2-(3,4-Methylenedioxyphenyl)ethylamine;3,4-(Methylenedioxy)phenylethylamine;[2-(Benzodioxol-5-yl)ethyl]amine;2-Benzo[1,3]dioxol-5-yl-ethylamine;2-Benzo[1,3]dioxol-5-ylethanamine;5-(2-Aminoethyl)benzodioxole;2-(Benzo[d][1,3]dioxol-5-yl)ethanamine;5-(2-Aminoethyl)-1,3-benzodioxole;2-(2H-1,3-Benzodioxol-5-yl)ethan-1-amine;2-(1,3-Dioxaindan-5-yl)ethan-1-amine
Categories:
Organic Chemistry > Amides

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Description

Colourless Liquid

1,3-Benzodioxole-5-ethanamine Basic Attributes

Molecular Weight：

165.19

Exact Mass：

165.19

EC Number：

216-060-8

DSSTox ID：

DTXSID00163982

HScode：

29213000

Characteristics

PSA：

44.5

XLogP3：

1.32

Appearance：

Colorless to pale yellow Liquid

Density：

1.225

Melting Point：

114 °C

Boiling Point：

166 °C @ Press: 20 Torr

Flash Point：

129.8±26.0 °C

Refractive Index：

1.5620 (estimate)

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Vapor Pressure：

0.000618mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

safety instructions：

26-39-24/25

RTECS Number：

SH9670000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-methylenedioxyphenethylamine

1,3-Benzodioxole-5-ethanamine Use and Manufacturing

Methods of Manufacturing

From pepper acetonitrile or pepper ethylidene imide prepared by catalytic hydrogenation. Put the piperidine, ethanol, nickel catalyst into the autoclave. After replacing the air in the kettle with nitrogen, ammonia gas is introduced, and then hydrogen is added. Control pressure 3-4MPa, temperature 95-100℃, start hydrogenation reaction when it no longer absorbs hydrogen, continue heat preservation, maintain hydrogen pressure for 30min. Cool to 30℃, let the pressure drop stand, filter with the residual pressure in the kettle, and remove the nickel catalyst (applied in ethanol). The filtrate is first distilled at atmospheric pressure to recover the ammonia ethanol solution, and then subjected to vacuum distillation to collect 110-140°C (1.33kPa) fractions to obtain piperonylamine. The yield is 80%. When using pepper acetonitrile production, the process is similar, the temperature is 80-85 ℃, the pressure is about 1MPa. Piperonylamine with a content of 92-94% was obtained. Raw material consumption quota: 1050kg/t for pepper acetonitrile, 23.4kg/t for Raney nickel, 70kg/t for hydrogen, and 982kg/t for ethanol (99%).

Uses

A metabolite of Dopamine analogs

Computed Properties

Molecular Weight:165.19
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:44.5
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1484-85-1

Content: 99.00%

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CAS No.: 1484-85-1

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Guide of 1,3-Benzodioxole-5-ethanamine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1,3-Benzodioxole-5-ethanamine

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